메틸5-메틸피라진-2-카르복실레이트

2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester

HCID 465065CAS 41110-33-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cnc(C)cn1
InChIKey: CRBOSZMVDHYLJE-UHFFFAOYSA-N
분자식: C7H8N2O2
평균 분자량: 152.15 g/mol
단동위원소 질량: 152.0585775

이름 및 식별자

우선 이름: 2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
IUPAC: methyl 5-methylpyrazine-2-carboxylate
현지명: 메틸5-메틸피라진-2-카르복실레이트
영어명: METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE
분자식: C7H8N2O2
분자량: 152.15

이름 및 동의어

41110-33-22-pyrazinecarboxylic acid, 5-methyl-, methyl esterRefChem:483326620-310-5methyl 5-methylpyrazine-2-carboxylateMFCD041169102-Pyrazinecarboxylicacid, 5-methyl-, methyl ester5-methylpyrazine-2-carboxylic acid methyl esterPyrazinecarboxylic acid, 5-methyl-, methyl esterMethyl 5-mehtylpyrazine-2-carboxylateMETHYL5-METHYLPYRAZINE-2-CARBOXYLATE5-Methyl-pyrazine-2-carboxylic acid methyl ester

이름 더 보기

메틸5-메틸피라진-2-카르복실레이트Glipizide Impurity 455-Methylpyrazinecarboxylic5-Methylpyrazine-2-carboxylate3,5-dimethyl-2-pyrazinecarboxylate2-Methyl-5-(methoxycarbonyl)pyrazineMethyl 5-methyl-2-pyrazinecarboxylateMETHYL-2-METHYL-PYRAZINE-5-CARBOXYLATE5-Methylpyrazinecarboxylic acid methyl ester2-Methyl-5-pyrazinecarboxylic acid methyl ester

Acipimox impurity 20methyl 5-methylpyrazine-CHEMBL115764SCHEMBL1858691DTXSID90332766CRBOSZMVDHYLJE-UHFFFAOYSA-N2-methoxycarbonyl-5-methylpyrazineALBB-027674

데이터베이스 식별자

CAS: 41110-33-2
PubChem CID: 465065
DTXSID: DTXSID90332766
ChEMBL: CHEMBL115764
EC Number: 620-310-5
Nikkaji: J419.537J

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

실험 및 물리화학적 성질

LogP0.17

물리화학적 성질

녹는점: 92 °C · 92 °C
끓는 점: 234.1 · 234.1±35.0 °C(Predicted)
밀도: 1.169 · 1.169±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 디클로로메탄 또는 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): -0.23 · -0.23±0.10(Predicted)
InChI: InChI=1S/C7H8N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h3-4H,1-2H3
InChIKey: CRBOSZMVDHYLJE-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=C(C)N=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 07-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19667

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

응용 분야

용도Methyl 5-methylpyrazine-2-carboxylate is an intermediate in the synthesis of 4-[β-(5-Methylpyrazinyl-2-carboxamido)ethyl]benzene Sulfonamide which itself is an intermediate in the synthesis of Glipizide (G410225).